Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.
about
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machinesOpen source molecular modelingCatalytic site identification--a web server to identify catalytic site structural matches throughout PDB.A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin.GABAA receptor target of tetramethylenedisulfotetramineVinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers.Pharmacophore modeling improves virtual screening for novel peroxisome proliferator-activated receptor-gamma ligands.Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.1001 Ways to run AutoDock Vina for virtual screeningImprovements, trends, and new ideas in molecular docking: 2012-2013 in review.Docking small peptides remains a great challenge: an assessment using AutoDock Vina.A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation.Saving time and energy with oversubscription and semi-direct Møller-Plesset second order perturbation methods.An improved approach for predicting drug-target interaction: proteochemometrics to molecular docking.Identification of allosteric inhibitors of the ecto-5'-nucleotidase (CD73) targeting the dimer interface.A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model.Parallel Flexible Molecular Docking in Computational Chemistry on High Performance Computing ClustersComparison of Three Molecular Simulation Approaches for Cyclodextrin-Ibuprofen Complexation
P2860
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P2860
Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.
description
2013 nî lūn-bûn
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2013 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2013年の論文
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2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
Message passing interface and ...... erformance computing machines.
@ast
Message passing interface and ...... erformance computing machines.
@en
Message passing interface and ...... erformance computing machines.
@nl
type
label
Message passing interface and ...... erformance computing machines.
@ast
Message passing interface and ...... erformance computing machines.
@en
Message passing interface and ...... erformance computing machines.
@nl
prefLabel
Message passing interface and ...... erformance computing machines.
@ast
Message passing interface and ...... erformance computing machines.
@en
Message passing interface and ...... erformance computing machines.
@nl
P2860
P356
P1476
Message passing interface and ...... performance computing machines
@en
P2093
Felice C Lightstone
Sergio E Wong
P2860
P304
P356
10.1002/JCC.23214
P577
2013-01-23T00:00:00Z